4-[(2-nitrophenyl)amino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-[(2-nitrophenyl)amino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2-nitroanilino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2-nitroanilino)-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2-nitroanilino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2-nitroanilino)-N-[4-(pyrazol-1-ylmethyl)benzyl]butyramide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)NCC2=CC=C(C=C2)CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)NCC2=CC=C(C=C2)CN3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c27-21(7-3-12-22-19-5-1-2-6-20(19)26(28)29)23-15-17-8-10-18(11-9-17)16-25-14-4-13-24-25/h1-2,4-6,8-11,13-14,22H,3,7,12,15-16H2,(H,23,27)